5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine

Systemtic Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 5-[(2,5-dimethylphenyl)methyl]-4-(methoxymethyl)-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 5-(2,5-dimethylbenzyl)-4-(methoxymethyl)-2-methyl-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C23H34N4O3S MolecularWeight: 446.60606

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC(=C3)C)C)COC)C

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=C(C=CC(=C3)C)C)COC)C

InChI

InChI=1S/C23H34N4O3S/c1-6-13-31(28,29)27-11-9-26(10-12-27)23-21(22(16-30-5)24-19(4)25-23)15-20-14-17(2)7-8-18(20)3/h7-8,14H,6,9-13,15-16H2,1-5H3